(Z)-N,N-dimethyl-4-(6-oxo-1H-pyridazin-3-yl)but-2-enamide

C10H13N3O2 — CID 155801721

IUPAC(Z)-N,N-dimethyl-4-(6-oxo-1H-pyridazin-3-yl)but-2-enamide
SMILESCN(C)C(=O)/C=C\Cc1ccc(=O)[nH]n1
InChIInChI=1S/C10H13N3O2/c1-13(2)10(15)5-3-4-8-6-7-9(14)12-11-8/h3,5-7H,4H2,1-2H3,(H,12,14)/b5-3-
InChIKeyYLSQBVUTJNHWMA-HYXAFXHYSA-N
MW207.23 g/mol
LogP-0.04
Rot. Bonds3

About (Z)-N,N-dimethyl-4-(6-oxo-1H-pyridazin-3-yl)but-2-enamide

(Z)-N,N-dimethyl-4-(6-oxo-1H-pyridazin-3-yl)but-2-enamide (PubChem CID 155801721) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is (Z)-N,N-dimethyl-4-(6-oxo-1H-pyridazin-3-yl)but-2-enamide.

Molecular Properties

Compound Name(Z)-N,N-dimethyl-4-(6-oxo-1H-pyridazin-3-yl)but-2-enamide
PubChem CID155801721
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name(Z)-N,N-dimethyl-4-(6-oxo-1H-pyridazin-3-yl)but-2-enamide
SMILESCN(C)C(=O)/C=C\Cc1ccc(=O)[nH]n1
InChIInChI=1S/C10H13N3O2/c1-13(2)10(15)5-3-4-8-6-7-9(14)12-11-8/h3,5-7H,4H2,1-2H3,(H,12,14)/b5-3-
InChIKeyYLSQBVUTJNHWMA-HYXAFXHYSA-N
XLogP-0.04
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N,N-dimethyl-4-(6-oxo-1H-pyridazin-3-yl)but-2-enamide?
The IUPAC name of (Z)-N,N-dimethyl-4-(6-oxo-1H-pyridazin-3-yl)but-2-enamide (CID 155801721) is (Z)-N,N-dimethyl-4-(6-oxo-1H-pyridazin-3-yl)but-2-enamide.
What is the SMILES notation for (Z)-N,N-dimethyl-4-(6-oxo-1H-pyridazin-3-yl)but-2-enamide?
The canonical SMILES for (Z)-N,N-dimethyl-4-(6-oxo-1H-pyridazin-3-yl)but-2-enamide is CN(C)C(=O)/C=C\Cc1ccc(=O)[nH]n1.
What is the InChIKey of (Z)-N,N-dimethyl-4-(6-oxo-1H-pyridazin-3-yl)but-2-enamide?
The InChIKey is YLSQBVUTJNHWMA-HYXAFXHYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-13(2)10(15)5-3-4-8-6-7-9(14)12-11-8/h3,5-7H,4H2,1-2H3,(H,12,14)/b5-3-.
What are the key properties of (Z)-N,N-dimethyl-4-(6-oxo-1H-pyridazin-3-yl)but-2-enamide?
(Z)-N,N-dimethyl-4-(6-oxo-1H-pyridazin-3-yl)but-2-enamide has a molecular weight of 207.23 g/mol, XLogP of -0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,N-dimethyl-4-(6-oxo-1H-pyridazin-3-yl)but-2-enamide is sourced from PubChem (CID 155801721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).